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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Methyl 1-Benzyl-4-oxo-3-piperidinecarboxylate Hydrochloride - ≥98%(HPLC) , CAS No.3939-01-3
Synonyms
A840282 | Methyl 1-benzyl-4-oxo-3-piperidinecarboxylate, HCl | 1-benzyl-3-methoxycarbonyl-4-oxopiperidine hydrochloride | S4859 | Q27253959 | NCGC00164175-03 | W-106445 | 4-oxo-1-(phenylmethyl)-3-piperidinecarboxylic acid methyl ester, hydrochloride | Met
Storage
Argon charged,Room temperature
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Why this grade ≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Argon charged,Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Sinónimos
A840282 | Methyl 1-benzyl-4-oxo-3-piperidinecarboxylate, HCl | 1-benzyl-3-methoxycarbonyl-4-oxopiperidine hydrochloride | S4859 | Q27253959 | NCGC00164175-03 | W-106445 | 4-oxo-1-(phenylmethyl)-3-piperidinecarboxylic acid methyl ester, hydrochloride | Met
Especificaciones y pureza
≥98%(HPLC)
Condiciones de almacenamiento de almacenamiento
Argon charged, Room temperature
Nombres e identificadores Pubchem Sid 488187410 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488187410 Sonrisas canónicas COC(=O)C1CN(CCC1=O)CC2=CC=CC=C2.Cl IUPAC Name methyl 1-benzyl-4-oxopiperidine-3-carboxylate;hydrochloride InChIKey BRADBAOVPACOQQ-UHFFFAOYSA-N INCHI 1S/C14H17NO3.ClH/c1-18-14(17)12-10-15(8-7-13(12)16)9-11-5-3-2-4-6-11;/h2-6,12H,7-10H2,1H3;1H Isómeros SMILES COC(=O)C1CN(CCC1=O)CC2=CC=CC=C2.Cl Peso molecular 283.75 Reaxy-Rn 4278986 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4278986&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Clase Piperidines Subclass Benzylpiperidines Intermediate Tree Nodes Not available Direct Parent N-benzylpiperidines Alternative Parents Piperidinecarboxylic acids Phenylmethylamines Benzylamines Piperidinones Aralkylamines 1,3-dicarbonyl compounds Methyl esters Trialkylamines Cyclic ketones Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents N-benzylpiperidine - Piperidinecarboxylic acid - Phenylmethylamine - Benzylamine - Aralkylamine - Piperidinone - Benzenoid - 1,3-dicarbonyl compound - Monocyclic benzene moiety - Methyl ester - Cyclic ketone - Tertiary aliphatic amine - Tertiary amine - Ketone - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aromatic heteromonocyclic compound Descripción This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Sensibilidad Hygroscopic Punto de fusión (°C) 185 °C Peso molecular 283.750 g/mol XLogP3 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 4 Exact Mass 283.098 Da Monoisotopic Mass 283.098 Da Topological Polar Surface Area 46.600 Ų Heavy Atom Count 19 Formal Charge 0 Complexity 310.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 2
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